SCHEMBL5779933

SCHEMBL5779933

O=C(O)NCc1ccc(C=NNc2ccc(-c3cnco3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.44
RAB9A P51151 5/20 0.44
KDM4E B2RXH2 4/20 0.44
PKM P14618 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
VHL P40337 2/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.41
PORCN Q9H237 1/20 0.41
IMPDH2 P12268 4/20 0.40
IMPDH1 P20839 3/20 0.40
POLB P06746 2/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5779930 1.00 NPC1 (0.44) NPC1RAB9AKDM4EPKMALDH1A1
SCHEMBL5777066 0.87 NPC1 (0.46) NPC1RAB9AKDM4EPKMALDH1A1
SCHEMBL5778056 0.85 HDAC1 (0.43) NPC1RAB9AKDM4EPKMALDH1A1
SCHEMBL5779773 0.84 LMNA (0.40) NPC1RAB9AKDM4EPKMALDH1A1
SCHEMBL5779771 0.84 LMNA (0.40) NPC1RAB9AKDM4EPKMALDH1A1
SCHEMBL15110902 0.84 VHL (0.54) NPC1RAB9AKDM4EPKMALDH1A1
SCHEMBL5775270 0.83 NPC1 (0.42) NPC1RAB9AKDM4EPKMALDH1A1
SCHEMBL5775267 0.83 NPC1 (0.42) NPC1RAB9AKDM4EPKMALDH1A1
SCHEMBL5775956 0.83 GAA (0.61) NPC1RAB9AKDM4EPKMALDH1A1
SCHEMBL5779696 0.82 PKM (0.39) NPC1RAB9AKDM4EPKMALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060276433-A1 Hydrazone derivative APP, PRNP, HTT NPC1 952/4885RAB9A 3127/4885KDM4E 4325/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.